>compound Nalbuphine
>formula C21H27NO4
>parentmass 358.201451201399
>charge 1

>ms1peaks
340.188445054533 1.9473
358.200584630829 100.0
358.433014497072 3.9179

>collision 10.0
340.190169307044 16.1587
358.201451201399 100.0
358.435135361138 4.29155

>collision 20.0
124.111185807209 0.552019
185.058973663759 1.02278
200.142375513464 0.608206
211.074108227625 0.728721
228.0998080462 0.71266
229.085933271037 0.510917
254.116281893555 1.36503
272.126917802388 2.24483
296.162741225665 1.9195
312.158405194159 0.906669
322.177987258207 0.756548
340.189379903527 100.0
340.416353613936 4.22479
358.199908621124 62.4019
358.431512195725 1.53323

>collision 40.0
30.0336838073025 1.32557
41.0393517018473 26.4772
41.118431936505 0.50876
42.0342929512846 0.519108
43.0182399723995 0.609456
44.0505232580894 4.03608
55.0184748078982 1.21213
55.0548230986678 0.992924
56.0499934586661 7.32469
57.0346509196724 0.716985
58.0656653408238 0.784556
67.0547867684414 3.29642
68.0499069210815 1.06263
69.0349419530034 1.21402
69.0704315395032 35.8401
69.175934510925 0.660505
70.0660470516777 2.90651
77.0383023937933 0.582098
79.0547675691067 1.27345
80.0497198166185 4.03208
81.0651297500076 0.801836
82.0651869187931 2.72008
83.0523509513877 0.507993
84.081063000701 1.70863
91.0543333595324 1.46414
93.064269207877 1.32351
94.0648318126138 2.49085
95.075940152862 0.749844
96.0806345494107 1.4728
98.0966980246698 8.64483
103.05279837157 0.70522
105.068917423991 0.928806
106.065339829093 1.55055
107.059340587899 0.524686
108.079248722359 1.21465
112.111820219059 2.23979
115.053712815353 1.4086
117.066277888953 0.86098
118.06425237483 1.48369
120.080009252063 3.53178
121.069298623139 1.41735
123.042727194408 1.39738
124.111543229735 7.27809
127.052888463784 0.717165
128.060770981117 1.39005
129.06881442485 1.50836
130.064937888995 1.59591
131.079617352726 2.33623
132.079590939368 3.89118
133.063585797165 0.693053
134.093249404704 0.627804
135.046775209504 0.557594
136.075302782095 4.83749
137.058829697107 4.86412
141.068374754488 2.95001
143.072580623833 0.934139
144.069119604728 0.92861
145.065478485128 2.28061
146.057469402795 0.794697
147.043909488734 3.86741
148.079207175188 6.448
149.061621148588 2.07854
150.098222752999 0.574485
152.060112257464 0.813098
153.069011854882 2.7092
154.070336398773 0.976813
155.084456062946 4.31308
156.07973510468 0.815533
157.064022237228 12.3701
158.072137404349 1.24492
159.079786128213 2.67612
161.058985620154 33.0877
162.111258685105 0.847654
163.068475155112 0.550187
165.069287216613 5.2893
166.0753306058 1.26244
167.081621591675 3.0133
168.069997793843 0.713978
169.067982561963 2.3265
170.081289577091 0.531494
171.07679085683 2.94957
172.077386198338 1.94841
173.060468965602 6.53842
174.058182902139 1.51878
175.07396445114 3.06728
176.073765982824 0.971498
178.080138347305 0.648595
179.084804176938 2.41977
180.081339352072 0.675018
181.071409190568 3.87426
182.093441926304 3.51835
183.079546724321 11.448
184.063523158953 2.7873
185.059351521175 51.3495
186.075131238778 1.06885
187.075158448019 8.21173
188.075554909955 1.03194
189.08861393301 1.5634
190.08064617762 0.569346
191.084662388627 1.20147
193.065352784386 3.1126
194.074880408757 0.688325
195.078949033915 2.28939
196.07780883914 1.3674
197.071052077967 2.46874
198.085789961619 2.73014
199.074456892809 14.9693
200.138803823719 19.0002
201.089581726482 8.56604
202.084593069271 3.30554
204.136781076939 3.27978
207.079090346416 2.03326
208.106647575905 1.57744
209.092583774975 3.23428
210.088503688228 4.38491
211.074902338434 29.2904
212.087119044056 3.29948
213.08133146117 14.746
214.084461659109 5.567
215.093614122337 3.576
216.122343524379 2.60152
217.08849864512 0.951462
217.144548498456 1.26119
219.081229835524 1.219
221.084335623503 0.98881
222.068996298056 1.0313
224.080609074039 0.902969
225.089382900593 5.07079
226.087134354892 12.774
227.098648980741 5.26485
228.101302958959 45.7735
229.08824851827 8.13722
230.116060979265 6.36979
236.105274797917 1.72029
237.090533685633 5.30101
238.086568588031 1.09061
239.098966968503 2.76424
240.102595494964 1.13964
242.116186504072 3.7917
243.100029314589 1.9627
244.103391879512 2.30326
252.101508853962 3.49889
253.109629207701 2.25634
254.117061195359 46.9548
255.105088216306 1.83432
256.098721039288 1.75589
257.108881730153 0.545451
266.122238886146 0.745956
268.133873216818 4.71042
270.119639746186 1.59866
271.119035772059 5.27682
272.127491060109 38.0644
278.148714455129 0.670421
280.160655577589 0.771111
281.140417957443 5.02029
282.149138260075 2.59425
283.15503671 2.67868
286.143787713156 0.812427
294.148812443018 4.41608
296.163466667049 38.7781
298.178926858603 2.18187
311.152249248534 0.760528
312.158779925795 16.4545
322.17944823139 7.57156
340.189304329371 100.0
340.416252328164 1.07791
358.19958887655 1.59026

